methanimidoyl methanimidothioate;propane

C5H12N2S — CID 142059269

IUPACmethanimidoyl methanimidothioate;propane
SMILESCCC.[H]/N=C/S/C=N/[H]
InChIInChI=1S/C3H8.C2H4N2S/c1-3-2;3-1-5-2-4/h3H2,1-2H3;1-4H/b;3-1+,4-2+
InChIKeyLCAJRSATRDAEMC-BZGZIVBQSA-N
MW132.23 g/mol
LogP2.35
Rot. Bonds2

About methanimidoyl methanimidothioate;propane

methanimidoyl methanimidothioate;propane (PubChem CID 142059269) has the molecular formula C5H12N2S and a molecular weight of 132.23 g/mol. Its IUPAC name is methanimidoyl methanimidothioate;propane.

Molecular Properties

Compound Namemethanimidoyl methanimidothioate;propane
PubChem CID142059269
Molecular FormulaC5H12N2S
Molecular Weight132.23 g/mol
Exact Mass132.07
IUPAC Namemethanimidoyl methanimidothioate;propane
SMILESCCC.[H]/N=C/S/C=N/[H]
InChIInChI=1S/C3H8.C2H4N2S/c1-3-2;3-1-5-2-4/h3H2,1-2H3;1-4H/b;3-1+,4-2+
InChIKeyLCAJRSATRDAEMC-BZGZIVBQSA-N
XLogP2.35
TPSA47.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.23
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

propane;propan-1-imine
CID 175287004
propane;propane-1,3-diimine
CID 142057441
propan-2-yl methanimidothioate
CID 89365201
3-methylbut-2-enyl methanimidothioate
CID 155383674
1-tritiopropan-1-imine
CID 59378071
methanimidate;methylazanium
CID 158284762
2-methanimidoylsulfanylacetic acid
CID 134973785
ethyl(trimethyl)azanium;dihydrate
CID 174491612
(2E,4Z)-3,4-diethylhexa-2,4-dien-1-imine;propane
CID 143467837
3-propylsulfanylpropan-1-imine
CID 123742984
(N'-methylcarbamimidoyl) methanimidothioate
CID 89101765
(Z)-2-phenylbut-2-en-1-imine;propane
CID 166165004

Frequently Asked Questions

What is the IUPAC name of methanimidoyl methanimidothioate;propane?
The IUPAC name of methanimidoyl methanimidothioate;propane (CID 142059269) is methanimidoyl methanimidothioate;propane.
What is the SMILES notation for methanimidoyl methanimidothioate;propane?
The canonical SMILES for methanimidoyl methanimidothioate;propane is CCC.[H]/N=C/S/C=N/[H].
What is the InChIKey of methanimidoyl methanimidothioate;propane?
The InChIKey is LCAJRSATRDAEMC-BZGZIVBQSA-N. The full InChI is InChI=1S/C3H8.C2H4N2S/c1-3-2;3-1-5-2-4/h3H2,1-2H3;1-4H/b;3-1+,4-2+.
What are the key properties of methanimidoyl methanimidothioate;propane?
methanimidoyl methanimidothioate;propane has a molecular weight of 132.23 g/mol, XLogP of 2.35, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methanimidoyl methanimidothioate;propane is sourced from PubChem (CID 142059269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).